[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone

C27H34N4O — CID 69192210

IUPAC[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESCC(C)Cn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21
InChIInChI=1S/C27H34N4O/c1-19(2)18-31-24-7-4-3-6-23(24)29-26(31)16-20-9-11-21(12-10-20)27(32)25-8-5-15-30(25)22-13-14-28-17-22/h3-4,6-7,9-12,19,22,25,28H,5,8,13-18H2,1-2H3
InChIKeyAZQHDHYSFKHBOC-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.29
Rot. Bonds7

About [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone

[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (PubChem CID 69192210) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
PubChem CID69192210
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESCC(C)Cn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21
InChIInChI=1S/C27H34N4O/c1-19(2)18-31-24-7-4-3-6-23(24)29-26(31)16-20-9-11-21(12-10-20)27(32)25-8-5-15-30(25)22-13-14-28-17-22/h3-4,6-7,9-12,19,22,25,28H,5,8,13-18H2,1-2H3
InChIKeyAZQHDHYSFKHBOC-UHFFFAOYSA-N
XLogP4.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-indazol-1-ylphenyl)-[1-[(3S)-pyrrolidin-3-yl]pyrrolidin-2-yl]methanone
CID 67171780
cyclopropyl-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-2-yl]methanone
CID 172733388
(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559689
[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
CID 68811963
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559770
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559771
4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
CID 140992645
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-1-one
CID 74234254
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 95135172
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (CID 69192210) is [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is CC(C)Cn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21.
What is the InChIKey of [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The InChIKey is AZQHDHYSFKHBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-19(2)18-31-24-7-4-3-6-23(24)29-26(31)16-20-9-11-21(12-10-20)27(32)25-8-5-15-30(25)22-13-14-28-17-22/h3-4,6-7,9-12,19,22,25,28H,5,8,13-18H2,1-2H3.
What are the key properties of [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone has a molecular weight of 430.60 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 69192210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).