N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide

C16H21N3O — CID 110791569

IUPACN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
SMILESCC(C)c1nc2ccc(CCNC(=O)C3CC3)cc2[nH]1
InChIInChI=1S/C16H21N3O/c1-10(2)15-18-13-6-3-11(9-14(13)19-15)7-8-17-16(20)12-4-5-12/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXAANFTCIWDGAFB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide (PubChem CID 110791569) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
PubChem CID110791569
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
SMILESCC(C)c1nc2ccc(CCNC(=O)C3CC3)cc2[nH]1
InChIInChI=1S/C16H21N3O/c1-10(2)15-18-13-6-3-11(9-14(13)19-15)7-8-17-16(20)12-4-5-12/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXAANFTCIWDGAFB-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796144
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
CID 110791570
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide (CID 110791569) is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide is CC(C)c1nc2ccc(CCNC(=O)C3CC3)cc2[nH]1.
What is the InChIKey of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is XAANFTCIWDGAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)15-18-13-6-3-11(9-14(13)19-15)7-8-17-16(20)12-4-5-12/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide?
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110791569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).