2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine

C13H19N3 — CID 116930918

IUPAC2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3/c1-3-10(8-14)6-11-4-5-13-12(7-11)15-9-16(13)2/h4-5,7,9-10H,3,6,8,14H2,1-2H3
InChIKeyKBRDAWXCPKVBCD-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.10
Rot. Bonds4

About 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine

2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine (PubChem CID 116930918) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine
PubChem CID116930918
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3/c1-3-10(8-14)6-11-4-5-13-12(7-11)15-9-16(13)2/h4-5,7,9-10H,3,6,8,14H2,1-2H3
InChIKeyKBRDAWXCPKVBCD-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethylbenzimidazole
CID 675
Lerisetron
CID 65997
5-Methylbenzimidazole
CID 11979
Mifentidine
CID 71263
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Bms 345541
CID 9926054
2-Amino-1-methylbenzimidazole
CID 74187
5,6-Dimethylbenzimidazol-2-ylamine
CID 93125
1-ethyl-1H-1,3-benzodiazole
CID 485094

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine (CID 116930918) is 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine is CCC(CN)Cc1ccc2c(c1)ncn2C.
What is the InChIKey of 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine?
The InChIKey is KBRDAWXCPKVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-10(8-14)6-11-4-5-13-12(7-11)15-9-16(13)2/h4-5,7,9-10H,3,6,8,14H2,1-2H3.
What are the key properties of 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine?
2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 116930918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).