N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline

C18H21N3 — CID 106505787

IUPACN-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
SMILESCCCn1c(Cc2cccc(NC)c2)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-3-11-21-17-10-5-4-9-16(17)20-18(21)13-14-7-6-8-15(12-14)19-2/h4-10,12,19H,3,11,13H2,1-2H3
InChIKeyCQZNGIKMUIQEQM-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.08
Rot. Bonds5

About N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline

N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline (PubChem CID 106505787) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
PubChem CID106505787
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
SMILESCCCn1c(Cc2cccc(NC)c2)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-3-11-21-17-10-5-4-9-16(17)20-18(21)13-14-7-6-8-15(12-14)19-2/h4-10,12,19H,3,11,13H2,1-2H3
InChIKeyCQZNGIKMUIQEQM-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline (CID 106505787) is N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline is CCCn1c(Cc2cccc(NC)c2)nc2ccccc21.
What is the InChIKey of N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is CQZNGIKMUIQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-11-21-17-10-5-4-9-16(17)20-18(21)13-14-7-6-8-15(12-14)19-2/h4-10,12,19H,3,11,13H2,1-2H3.
What are the key properties of N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline?
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 279.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 106505787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).