1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine

C14H20N4 — CID 116961257

IUPAC1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C1(N)CC1
InChIInChI=1S/C14H20N4/c1-9-17-11-8-10(4-5-12(11)18(9)3)13(16-2)14(15)6-7-14/h4-5,8,13,16H,6-7,15H2,1-3H3
InChIKeyKDDIUQAUYKEPFU-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.63
Rot. Bonds3

About 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine

1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine (PubChem CID 116961257) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
PubChem CID116961257
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C1(N)CC1
InChIInChI=1S/C14H20N4/c1-9-17-11-8-10(4-5-12(11)18(9)3)13(16-2)14(15)6-7-14/h4-5,8,13,16H,6-7,15H2,1-3H3
InChIKeyKDDIUQAUYKEPFU-UHFFFAOYSA-N
XLogP1.63
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide
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Bms 345541
CID 9926054
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CID 962387
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
1-(1-(1-Methylcyclooctyl)-4-piperidinyl)-2-((3R)-3-piperidinyl)-1H-benzimidazole
CID 24800108

Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine (CID 116961257) is 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine is CNC(c1ccc2c(c1)nc(C)n2C)C1(N)CC1.
What is the InChIKey of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine?
The InChIKey is KDDIUQAUYKEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-17-11-8-10(4-5-12(11)18(9)3)13(16-2)14(15)6-7-14/h4-5,8,13,16H,6-7,15H2,1-3H3.
What are the key properties of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine?
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).