2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine

C17H19N3O — CID 43746416

IUPAC2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccc(C4CC4C)o3)cc2[nH]1
InChIInChI=1S/C17H19N3O/c1-10-7-14(10)17-6-4-13(21-17)9-18-12-3-5-15-16(8-12)20-11(2)19-15/h3-6,8,10,14,18H,7,9H2,1-2H3,(H,19,20)
InChIKeyROHHKRAWYXBRIG-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.20
Rot. Bonds4

About 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine

2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine (PubChem CID 43746416) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
PubChem CID43746416
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccc(C4CC4C)o3)cc2[nH]1
InChIInChI=1S/C17H19N3O/c1-10-7-14(10)17-6-4-13(21-17)9-18-12-3-5-15-16(8-12)20-11(2)19-15/h3-6,8,10,14,18H,7,9H2,1-2H3,(H,19,20)
InChIKeyROHHKRAWYXBRIG-UHFFFAOYSA-N
XLogP4.20
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]furan-2-carbonitrile
CID 115743919
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193593
2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine
CID 82835140
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
4-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-nitroaniline
CID 79753613
4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 43195287
2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
CID 43690494
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine (CID 43746416) is 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine is Cc1nc2ccc(NCc3ccc(C4CC4C)o3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine?
The InChIKey is ROHHKRAWYXBRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-7-14(10)17-6-4-13(21-17)9-18-12-3-5-15-16(8-12)20-11(2)19-15/h3-6,8,10,14,18H,7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine?
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).