N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C16H21ClN4O2 — CID 139008536

IUPACN-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCCC(CO)C2)nc2cccc(Cl)c21
InChIInChI=1S/C16H21ClN4O2/c1-20-14(19-13-6-2-5-12(17)15(13)20)8-18-16(23)21-7-3-4-11(9-21)10-22/h2,5-6,11,22H,3-4,7-10H2,1H3,(H,18,23)
InChIKeyUMIFAUJKDPEBTR-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.14
Rot. Bonds3

About N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 139008536) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID139008536
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCn1c(CNC(=O)N2CCCC(CO)C2)nc2cccc(Cl)c21
InChIInChI=1S/C16H21ClN4O2/c1-20-14(19-13-6-2-5-12(17)15(13)20)8-18-16(23)21-7-3-4-11(9-21)10-22/h2,5-6,11,22H,3-4,7-10H2,1H3,(H,18,23)
InChIKeyUMIFAUJKDPEBTR-UHFFFAOYSA-N
XLogP2.14
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(7-chloro-1-methylbenzimidazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010524
3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 139007358
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 166222077
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145269
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
CID 110896024

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 139008536) is N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is Cn1c(CNC(=O)N2CCCC(CO)C2)nc2cccc(Cl)c21.
What is the InChIKey of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UMIFAUJKDPEBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-20-14(19-13-6-2-5-12(17)15(13)20)8-18-16(23)21-7-3-4-11(9-21)10-22/h2,5-6,11,22H,3-4,7-10H2,1H3,(H,18,23).
What are the key properties of N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.14, 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]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 139008536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).