N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine

C16H14ClN5O2 — CID 133406716

IUPACN-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine
SMILESCn1c(C2CC2)nc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21
InChIInChI=1S/C16H14ClN5O2/c1-21-14-5-4-10(6-13(14)20-16(21)9-2-3-9)19-15-12(17)7-11(8-18-15)22(23)24/h4-9H,2-3H2,1H3,(H,18,19)
InChIKeyNINRKSPACVCWME-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.15
Rot. Bonds4

About N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine

N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine (PubChem CID 133406716) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine
PubChem CID133406716
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine
SMILESCn1c(C2CC2)nc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21
InChIInChI=1S/C16H14ClN5O2/c1-21-14-5-4-10(6-13(14)20-16(21)9-2-3-9)19-15-12(17)7-11(8-18-15)22(23)24/h4-9H,2-3H2,1H3,(H,18,19)
InChIKeyNINRKSPACVCWME-UHFFFAOYSA-N
XLogP4.15
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
CID 133406697
2-cyclopropyl-1-methyl-N-(4-methylsulfonyl-2-nitrophenyl)benzimidazol-5-amine
CID 133406692
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 97084171
4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133406706
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133406710
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
5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide
CID 133384840
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
N-[3-(benzylsulfinylmethyl)phenyl]-3-chloro-5-nitropyridin-2-amine
CID 133304591

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine?
The IUPAC name of N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine (CID 133406716) is N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine is Cn1c(C2CC2)nc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21.
What is the InChIKey of N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine?
The InChIKey is NINRKSPACVCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-21-14-5-4-10(6-13(14)20-16(21)9-2-3-9)19-15-12(17)7-11(8-18-15)22(23)24/h4-9H,2-3H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine?
N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine has a molecular weight of 343.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 133406716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).