N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide

C23H25ClN4O — CID 166401593

IUPACN-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)C1CNCC2(CCC2)C1
InChIInChI=1S/C23H25ClN4O/c24-19-10-18(28-15-27-20-4-1-2-5-21(20)28)7-6-16(19)13-26-22(29)17-11-23(8-3-9-23)14-25-12-17/h1-2,4-7,10,15,17,25H,3,8-9,11-14H2,(H,26,29)
InChIKeyANPMVIASBNMHPW-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.07
Rot. Bonds4

About N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide

N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 166401593) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide
PubChem CID166401593
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)C1CNCC2(CCC2)C1
InChIInChI=1S/C23H25ClN4O/c24-19-10-18(28-15-27-20-4-1-2-5-21(20)28)7-6-16(19)13-26-22(29)17-11-23(8-3-9-23)14-25-12-17/h1-2,4-7,10,15,17,25H,3,8-9,11-14H2,(H,26,29)
InChIKeyANPMVIASBNMHPW-UHFFFAOYSA-N
XLogP4.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
CID 167962847
1-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-3-quinolin-3-ylurea
CID 155968125
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
CID 167882891
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-2-[4-(5-chloro-2-pyridinyl)triazol-1-yl]-4-methylbenzamide
CID 167828284
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
CID 45182568
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
3-[[[4-(benzimidazol-1-yl)phenyl]methylamino]methyl]thiolan-3-ol
CID 111629711

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide (CID 166401593) is N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide is O=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)C1CNCC2(CCC2)C1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is ANPMVIASBNMHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c24-19-10-18(28-15-27-20-4-1-2-5-21(20)28)7-6-16(19)13-26-22(29)17-11-23(8-3-9-23)14-25-12-17/h1-2,4-7,10,15,17,25H,3,8-9,11-14H2,(H,26,29).
What are the key properties of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide?
N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 166401593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).