9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide

C21H28N4O — CID 120993673

IUPAC9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)C3CC4CCCC(C3)C4N)ccc21
InChIInChI=1S/C21H28N4O/c1-25-18-8-7-16(11-17(18)24-20(25)12-5-6-12)23-21(26)15-9-13-3-2-4-14(10-15)19(13)22/h7-8,11-15,19H,2-6,9-10,22H2,1H3,(H,23,26)
InChIKeyBZCDEMLFSWTLGR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.54
Rot. Bonds3

About 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120993673) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120993673
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)C3CC4CCCC(C3)C4N)ccc21
InChIInChI=1S/C21H28N4O/c1-25-18-8-7-16(11-17(18)24-20(25)12-5-6-12)23-21(26)15-9-13-3-2-4-14(10-15)19(13)22/h7-8,11-15,19H,2-6,9-10,22H2,1H3,(H,23,26)
InChIKeyBZCDEMLFSWTLGR-UHFFFAOYSA-N
XLogP3.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
9-amino-N-(2H-benzotriazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991865
9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994058
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
CID 75393659
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
CID 166238515
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 97084171
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392653
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120993673) is 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide is Cn1c(C2CC2)nc2cc(NC(=O)C3CC4CCCC(C3)C4N)ccc21.
What is the InChIKey of 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is BZCDEMLFSWTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-25-18-8-7-16(11-17(18)24-20(25)12-5-6-12)23-21(26)15-9-13-3-2-4-14(10-15)19(13)22/h7-8,11-15,19H,2-6,9-10,22H2,1H3,(H,23,26).
What are the key properties of 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120993673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).