N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide

C17H25N5O2 — CID 147182456

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
SMILESCC(CC(=O)NCCC1=CN=CC1)CC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H25N5O2/c1-13(8-16(23)20-6-3-14-2-5-18-10-14)9-17(24)21-7-4-15-11-19-12-22-15/h5,10-13H,2-4,6-9H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyBZVUVVOWCIDDSW-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.35
Rot. Bonds10

About N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide (PubChem CID 147182456) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
PubChem CID147182456
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
SMILESCC(CC(=O)NCCC1=CN=CC1)CC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H25N5O2/c1-13(8-16(23)20-6-3-14-2-5-18-10-14)9-17(24)21-7-4-15-11-19-12-22-15/h5,10-13H,2-4,6-9H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyBZVUVVOWCIDDSW-UHFFFAOYSA-N
XLogP1.35
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65232349
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
N-[2-(1H-imidazol-5-yl)ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241368
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide
CID 70244462
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide (CID 147182456) is N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide is CC(CC(=O)NCCC1=CN=CC1)CC(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
The InChIKey is BZVUVVOWCIDDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(8-16(23)20-6-3-14-2-5-18-10-14)9-17(24)21-7-4-15-11-19-12-22-15/h5,10-13H,2-4,6-9H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide has a molecular weight of 331.42 g/mol, XLogP of 1.35, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-methyl-N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide is sourced from PubChem (CID 147182456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).