N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide

C21H33N5O — CID 17236147

IUPACN-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(CC)CC1)n2CC
InChIInChI=1S/C21H33N5O/c1-4-7-8-21(27)22-17-9-10-19-18(15-17)23-20(26(19)6-3)16-25-13-11-24(5-2)12-14-25/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,22,27)
InChIKeyWZBCXNFBRMSITE-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.32
Rot. Bonds8

About N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide

N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide (PubChem CID 17236147) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
PubChem CID17236147
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC NameN-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(CC)CC1)n2CC
InChIInChI=1S/C21H33N5O/c1-4-7-8-21(27)22-17-9-10-19-18(15-17)23-20(26(19)6-3)16-25-13-11-24(5-2)12-14-25/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,22,27)
InChIKeyWZBCXNFBRMSITE-UHFFFAOYSA-N
XLogP3.32
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
CID 53207521
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide?
The IUPAC name of N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide (CID 17236147) is N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide.
What is the SMILES notation for N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide?
The canonical SMILES for N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide is CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(CC)CC1)n2CC.
What is the InChIKey of N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide?
The InChIKey is WZBCXNFBRMSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-4-7-8-21(27)22-17-9-10-19-18(15-17)23-20(26(19)6-3)16-25-13-11-24(5-2)12-14-25/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,22,27).
What are the key properties of N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide?
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide has a molecular weight of 371.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide is sourced from PubChem (CID 17236147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).