1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine

C10H14N4 — CID 82403859

IUPAC1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine
SMILESCn1cnc2ccc(C(N)CN)cc21
InChIInChI=1S/C10H14N4/c1-14-6-13-9-3-2-7(4-10(9)14)8(12)5-11/h2-4,6,8H,5,11-12H2,1H3
InChIKeyFBEVLFSAQKSMBC-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.53
Rot. Bonds2

About 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine

1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine (PubChem CID 82403859) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine
PubChem CID82403859
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine
SMILESCn1cnc2ccc(C(N)CN)cc21
InChIInChI=1S/C10H14N4/c1-14-6-13-9-3-2-7(4-10(9)14)8(12)5-11/h2-4,6,8H,5,11-12H2,1H3
InChIKeyFBEVLFSAQKSMBC-UHFFFAOYSA-N
XLogP0.53
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
2-(1-methylpyrrolo[3,2-b]pyridin-6-yl)propan-1-amine
CID 84771244
3-methylbenzimidazole-5-carboxamide
CID 21105052
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
1-methyl-6-phenylbenzimidazole
CID 135028518
N-(diaminomethylidene)-1-[1-(3-methylbenzimidazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 90713770
3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
CID 115119590
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine (CID 82403859) is 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine is Cn1cnc2ccc(C(N)CN)cc21.
What is the InChIKey of 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine?
The InChIKey is FBEVLFSAQKSMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14-6-13-9-3-2-7(4-10(9)14)8(12)5-11/h2-4,6,8H,5,11-12H2,1H3.
What are the key properties of 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine?
1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzimidazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 82403859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).