1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine

C12H18N4 — CID 83836744

IUPAC1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine
SMILESCc1cccc2nc(NCC(C)N)n(C)c12
InChIInChI=1S/C12H18N4/c1-8-5-4-6-10-11(8)16(3)12(15-10)14-7-9(2)13/h4-6,9H,7,13H2,1-3H3,(H,14,15)
InChIKeyJTLBPCZSJMJMOE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.64
Rot. Bonds3

About 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine

1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine (PubChem CID 83836744) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine
PubChem CID83836744
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine
SMILESCc1cccc2nc(NCC(C)N)n(C)c12
InChIInChI=1S/C12H18N4/c1-8-5-4-6-10-11(8)16(3)12(15-10)14-7-9(2)13/h4-6,9H,7,13H2,1-3H3,(H,14,15)
InChIKeyJTLBPCZSJMJMOE-UHFFFAOYSA-N
XLogP1.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine
CID 83838714
N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine
CID 83832601
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
CID 81456064
4-[(1,7-dimethylbenzimidazol-2-yl)methyl]aniline
CID 81454969
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
[4-(1,7-dimethylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 81456378
ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
CID 81455583
2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
CID 83838990
3-(1,7-dimethylbenzimidazol-2-yl)-2-methylaniline
CID 81456663
2-(1,7-dimethylbenzimidazol-2-yl)butanoic acid
CID 83857970

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine (CID 83836744) is 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine is Cc1cccc2nc(NCC(C)N)n(C)c12.
What is the InChIKey of 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine?
The InChIKey is JTLBPCZSJMJMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-5-4-6-10-11(8)16(3)12(15-10)14-7-9(2)13/h4-6,9H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine?
1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83836744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).