2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine

C15H17N5 — CID 115376072

IUPAC2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
SMILESCN(C)c1cccc(Nc2nc3ccc(N)cc3[nH]2)c1
InChIInChI=1S/C15H17N5/c1-20(2)12-5-3-4-11(9-12)17-15-18-13-7-6-10(16)8-14(13)19-15/h3-9H,16H2,1-2H3,(H2,17,18,19)
InChIKeySBYJHXLSRGOCQQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.95
Rot. Bonds3

About 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine

2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine (PubChem CID 115376072) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
PubChem CID115376072
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
SMILESCN(C)c1cccc(Nc2nc3ccc(N)cc3[nH]2)c1
InChIInChI=1S/C15H17N5/c1-20(2)12-5-3-4-11(9-12)17-15-18-13-7-6-10(16)8-14(13)19-15/h3-9H,16H2,1-2H3,(H2,17,18,19)
InChIKeySBYJHXLSRGOCQQ-UHFFFAOYSA-N
XLogP2.95
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
2-N-[3-(dimethylamino)phenyl]-1,3-benzoxazole-2,5-diamine
CID 115376175
2-hydrazinyl-3H-benzimidazol-5-amine
CID 83416584
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
2-[3-(dimethylamino)anilino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136780088
3-[(6-aminosulfanyl-1H-benzimidazol-2-yl)amino]phenol
CID 142335295
N-[4-[[8-[3-(dimethylamino)anilino]-7H-purin-6-yl]amino]phenyl]acetamide
CID 117088567
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
CID 106328017
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine (CID 115376072) is 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine is CN(C)c1cccc(Nc2nc3ccc(N)cc3[nH]2)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine?
The InChIKey is SBYJHXLSRGOCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(2)12-5-3-4-11(9-12)17-15-18-13-7-6-10(16)8-14(13)19-15/h3-9H,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine?
2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 115376072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).