N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide

C29H40N4O2 — CID 124823623

IUPACN-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCCN(CCC)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C29H40N4O2/c1-4-6-18-32(17-5-2)29(34)24-15-19-31(20-16-24)22-28-30-26-9-7-8-10-27(26)33(28)21-23-11-13-25(35-3)14-12-23/h7-14,24H,4-6,15-22H2,1-3H3
InChIKeyGHHFBMCDKMCHRF-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.34
Rot. Bonds11

About N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide

N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide (PubChem CID 124823623) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
PubChem CID124823623
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC NameN-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCCN(CCC)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C29H40N4O2/c1-4-6-18-32(17-5-2)29(34)24-15-19-31(20-16-24)22-28-30-26-9-7-8-10-27(26)33(28)21-23-11-13-25(35-3)14-12-23/h7-14,24H,4-6,15-22H2,1-3H3
InChIKeyGHHFBMCDKMCHRF-UHFFFAOYSA-N
XLogP5.34
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 124818216
(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124797684
[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 124797078
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
N-(2,6-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124798205
1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
CID 124801929
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 124804980
1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 124824584
(4-butylpiperazin-1-yl)-[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124824788
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
CID 124825837
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide (CID 124823623) is N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide is CCCCN(CCC)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is GHHFBMCDKMCHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-4-6-18-32(17-5-2)29(34)24-15-19-31(20-16-24)22-28-30-26-9-7-8-10-27(26)33(28)21-23-11-13-25(35-3)14-12-23/h7-14,24H,4-6,15-22H2,1-3H3.
What are the key properties of N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide?
N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 124823623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).