6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

C27H34ClN5O2 — CID 101273760

IUPAC6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Cc1ccccc1)NCCCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C27H34ClN5O2/c28-22-16-23(26-24(17-22)31-19-32-26)27(35)30-18-21-9-13-33(14-10-21)12-6-2-5-11-29-25(34)15-20-7-3-1-4-8-20/h1,3-4,7-8,16-17,19,21H,2,5-6,9-15,18H2,(H,29,34)(H,30,35)(H,31,32)
InChIKeyHLUZPNOMINCAGN-UHFFFAOYSA-N
MW496.06 g/mol
LogP4.19
Rot. Bonds11

About 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 101273760) has the molecular formula C27H34ClN5O2 and a molecular weight of 496.06 g/mol. Its IUPAC name is 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
PubChem CID101273760
Molecular FormulaC27H34ClN5O2
Molecular Weight496.06 g/mol
Exact Mass495.24
IUPAC Name6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Cc1ccccc1)NCCCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C27H34ClN5O2/c28-22-16-23(26-24(17-22)31-19-32-26)27(35)30-18-21-9-13-33(14-10-21)12-6-2-5-11-29-25(34)15-20-7-3-1-4-8-20/h1,3-4,7-8,16-17,19,21H,2,5-6,9-15,18H2,(H,29,34)(H,30,35)(H,31,32)
InChIKeyHLUZPNOMINCAGN-UHFFFAOYSA-N
XLogP4.19
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.06
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 11014701
3-[2-[3-(4-benzylpiperidin-1-yl)propylamino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid
CID 22431047
3,5-dichloro-N-[[1-[2-(cyclopropylphosphanylamino)ethyl]piperidin-4-yl]methyl]benzamide
CID 134423011
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
CID 21477563
4-amino-N-[[1-(4-benzylsulfonylbutyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 54165330
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (CID 101273760) is 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is O=C(Cc1ccccc1)NCCCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1.
What is the InChIKey of 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is HLUZPNOMINCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O2/c28-22-16-23(26-24(17-22)31-19-32-26)27(35)30-18-21-9-13-33(14-10-21)12-6-2-5-11-29-25(34)15-20-7-3-1-4-8-20/h1,3-4,7-8,16-17,19,21H,2,5-6,9-15,18H2,(H,29,34)(H,30,35)(H,31,32).
What are the key properties of 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 496.06 g/mol, XLogP of 4.19, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 101273760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).