N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide

C30H27F3N6O2 — CID 143687487

IUPACN-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc2[nH]c(C(=O)N3CCC(n4c(N)nc5ccccc54)CC3)c(NC(=O)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C30H27F3N6O2/c1-17-9-10-22-21(15-17)25(37-27(40)18-5-4-6-19(16-18)30(31,32)33)26(35-22)28(41)38-13-11-20(12-14-38)39-24-8-3-2-7-23(24)36-29(39)34/h2-10,15-16,20,35H,11-14H2,1H3,(H2,34,36)(H,37,40)
InChIKeyHIFMJVZBDPNPCT-UHFFFAOYSA-N
MW560.58 g/mol
LogP6.16
Rot. Bonds4

About N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide

N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 143687487) has the molecular formula C30H27F3N6O2 and a molecular weight of 560.58 g/mol. Its IUPAC name is N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID143687487
Molecular FormulaC30H27F3N6O2
Molecular Weight560.58 g/mol
Exact Mass560.21
IUPAC NameN-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc2[nH]c(C(=O)N3CCC(n4c(N)nc5ccccc54)CC3)c(NC(=O)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C30H27F3N6O2/c1-17-9-10-22-21(15-17)25(37-27(40)18-5-4-6-19(16-18)30(31,32)33)26(35-22)28(41)38-13-11-20(12-14-38)39-24-8-3-2-7-23(24)36-29(39)34/h2-10,15-16,20,35H,11-14H2,1H3,(H2,34,36)(H,37,40)
InChIKeyHIFMJVZBDPNPCT-UHFFFAOYSA-N
XLogP6.16
TPSA109.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
CID 89058563
N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-methyl-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118396001
methyl 5-methyl-3-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 2005543
3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 25071397
N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
CID 46391981
(2S)-3-(2-aminobenzimidazol-1-yl)-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylic acid
CID 87837424
ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657003
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
CID 138656728
N-[5-methyl-1-[(1S,3S)-3-(prop-2-enoylamino)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 72700005
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 139447854

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide (CID 143687487) is N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide is Cc1ccc2[nH]c(C(=O)N3CCC(n4c(N)nc5ccccc54)CC3)c(NC(=O)c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is HIFMJVZBDPNPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O2/c1-17-9-10-22-21(15-17)25(37-27(40)18-5-4-6-19(16-18)30(31,32)33)26(35-22)28(41)38-13-11-20(12-14-38)39-24-8-3-2-7-23(24)36-29(39)34/h2-10,15-16,20,35H,11-14H2,1H3,(H2,34,36)(H,37,40).
What are the key properties of N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 560.58 g/mol, XLogP of 6.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143687487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).