N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide

C16H21N3O — CID 110791866

IUPACN-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C16H21N3O/c1-3-15(20)17-9-8-11-4-7-14-13(10-11)18-16(19(14)2)12-5-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyDPNSSSGHBOVHFA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide

N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide (PubChem CID 110791866) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
PubChem CID110791866
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C16H21N3O/c1-3-15(20)17-9-8-11-4-7-14-13(10-11)18-16(19(14)2)12-5-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyDPNSSSGHBOVHFA-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
CID 96674760
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
CID 96677034
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide (CID 110791866) is N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide is CCC(=O)NCCc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is DPNSSSGHBOVHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-15(20)17-9-8-11-4-7-14-13(10-11)18-16(19(14)2)12-5-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide?
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110791866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).