N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide

C18H21ClN6O — CID 166222077

IUPACN-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCC(c3ncc[nH]3)CC2)nc2cccc(Cl)c21
InChIInChI=1S/C18H21ClN6O/c1-24-15(23-14-4-2-3-13(19)16(14)24)11-22-18(26)25-9-5-12(6-10-25)17-20-7-8-21-17/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,20,21)(H,22,26)
InChIKeyWYVVAKHWKUUTHH-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.04
Rot. Bonds3

About N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 166222077) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID166222077
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC NameN-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCC(c3ncc[nH]3)CC2)nc2cccc(Cl)c21
InChIInChI=1S/C18H21ClN6O/c1-24-15(23-14-4-2-3-13(19)16(14)24)11-22-18(26)25-9-5-12(6-10-25)17-20-7-8-21-17/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,20,21)(H,22,26)
InChIKeyWYVVAKHWKUUTHH-UHFFFAOYSA-N
XLogP3.04
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 166222077) is N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide is Cn1c(CNC(=O)N2CCC(c3ncc[nH]3)CC2)nc2cccc(Cl)c21.
What is the InChIKey of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is WYVVAKHWKUUTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-24-15(23-14-4-2-3-13(19)16(14)24)11-22-18(26)25-9-5-12(6-10-25)17-20-7-8-21-17/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,20,21)(H,22,26).
What are the key properties of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166222077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).