N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide

C15H16ClN3O — CID 154800425

IUPACN-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2[nH]1)C1CC12CCCC2
InChIInChI=1S/C15H16ClN3O/c16-10-4-3-5-11-12(10)18-14(17-11)19-13(20)9-8-15(9)6-1-2-7-15/h3-5,9H,1-2,6-8H2,(H2,17,18,19,20)
InChIKeyUFXLARZEEPKFHT-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.74
Rot. Bonds2

About N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide

N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide (PubChem CID 154800425) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide
PubChem CID154800425
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2[nH]1)C1CC12CCCC2
InChIInChI=1S/C15H16ClN3O/c16-10-4-3-5-11-12(10)18-14(17-11)19-13(20)9-8-15(9)6-1-2-7-15/h3-5,9H,1-2,6-8H2,(H2,17,18,19,20)
InChIKeyUFXLARZEEPKFHT-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337642
(2S,5R)-5-(aminomethyl)-N-(4-chloro-1H-benzimidazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795331
N-(2,6-dichlorophenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65469174
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
CID 120501807
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417
2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071695
N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 167891189
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide
CID 155221361
4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
CID 107180154
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
CID 144524994
methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate
CID 69017528

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide (CID 154800425) is N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide is O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CC12CCCC2.
What is the InChIKey of N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is UFXLARZEEPKFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-10-4-3-5-11-12(10)18-14(17-11)19-13(20)9-8-15(9)6-1-2-7-15/h3-5,9H,1-2,6-8H2,(H2,17,18,19,20).
What are the key properties of N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide?
N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 154800425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).