2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine

C16H15N5O2 — CID 133406697

IUPAC2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
SMILESCn1c(C2CC2)nc2cc(Nc3ncccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C16H15N5O2/c1-20-13-7-6-11(9-12(13)19-16(20)10-4-5-10)18-15-14(21(22)23)3-2-8-17-15/h2-3,6-10H,4-5H2,1H3,(H,17,18)
InChIKeyDJBXLCKMGNWPGB-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.50
Rot. Bonds4

About 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine

2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine (PubChem CID 133406697) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
PubChem CID133406697
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine
SMILESCn1c(C2CC2)nc2cc(Nc3ncccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C16H15N5O2/c1-20-13-7-6-11(9-12(13)19-16(20)10-4-5-10)18-15-14(21(22)23)3-2-8-17-15/h2-3,6-10H,4-5H2,1H3,(H,17,18)
InChIKeyDJBXLCKMGNWPGB-UHFFFAOYSA-N
XLogP3.50
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.50
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'}

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Related Compounds

N-(3-chloro-5-nitro-2-pyridinyl)-2-cyclopropyl-1-methylbenzimidazol-5-amine
CID 133406716
N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine
CID 18967507
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
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
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 97084171
3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 178120441
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-nitropyridin-2-amine
CID 133273122
(2R)-2-methyl-6-[(3-nitro-2-pyridinyl)amino]-4H-1,4-benzoxazin-3-one
CID 25336222
(2S)-2-methyl-6-[(3-nitro-2-pyridinyl)amino]-4H-1,4-benzoxazin-3-one
CID 25336221
4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133406706
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133406759

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine (CID 133406697) is 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine is Cn1c(C2CC2)nc2cc(Nc3ncccc3[N+](=O)[O-])ccc21.
What is the InChIKey of 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine?
The InChIKey is DJBXLCKMGNWPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20-13-7-6-11(9-12(13)19-16(20)10-4-5-10)18-15-14(21(22)23)3-2-8-17-15/h2-3,6-10H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine?
2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine has a molecular weight of 309.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-N-(3-nitro-2-pyridinyl)benzimidazol-5-amine is sourced from PubChem (CID 133406697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).